7SK7
 
 | | Cryo-EM structure of human ACKR3 in complex with CXCL12, a small molecule partial agonist CCX662, and an extracellular Fab | | Descriptor: | (1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium, Anti-Fab nanobody, Atypical chemokine receptor 3, ... | | Authors: | Yen, Y.C, Schafer, C.T, Gustavsson, M, Handel, T.M, Tesmer, J.J.G. | | Deposit date: | 2021-10-19 | | Release date: | 2022-07-27 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structures of atypical chemokine receptor 3 reveal the basis for its promiscuity and signaling bias.
Sci Adv, 8, 2022
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6ESJ
 | | Human butyrylcholinesterase in complex with propidium | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM, ... | | Authors: | Nachon, F, Brazzolotto, X, Wandhammer, M, Trovaslet-Leroy, M, Macdonald, I.R, Darvesh, S, Rosenberry, T.L. | | Deposit date: | 2017-10-20 | | Release date: | 2017-12-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.979845 Å) | | Cite: | Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study.
Molecules, 22, 2017
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1ULT
 | | Crystal structure of tt0168 from Thermus thermophilus HB8 | | Descriptor: | CITRIC ACID, long chain fatty acid-CoA ligase | | Authors: | Hisanaga, Y, Ago, H, Nakatsu, T, Hamada, K, Ida, K, Kanda, H, Yamamoto, M, Hori, T, Arii, Y, Sugahara, M, Kuramitsu, S, Yokoyama, S, Miyano, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-09-16 | | Release date: | 2004-07-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural basis of the substrate specific two-step catalysis of long chain fatty acyl-CoA synthetase dimer
J.Biol.Chem., 279, 2004
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1HZV
 | | DOMAIN SWING UPON HIS TO ALA MUTATION IN NITRITE REDUCTASE OF PSEUDOMONAS AERUGINOSA | | Descriptor: | HEME C, HEME D, NITRIC OXIDE, ... | | Authors: | Brown, K, Tegoni, M, Cambillau, C. | | Deposit date: | 2001-01-26 | | Release date: | 2001-09-26 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Domain swing upon His to Ala mutation in nitrite reductase of Pseudomonas aeruginosa.
J.Mol.Biol., 312, 2001
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1ZO2
 | | Structure of nuclear transport factor 2 (Ntf2) from Cryptosporidium parvum | | Descriptor: | nuclear transport factor 2 | | Authors: | Choe, J, Artz, J.D, Gao, M, Lew, J, Zhao, Y, Arrowsmith, C, Edwards, A, Sundstrom, M, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-05-12 | | Release date: | 2005-05-31 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
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6PPR
 | | Cryo-EM structure of AdnA(D934A)-AdnB(D1014A) in complex with AMPPNP and DNA | | Descriptor: | ATP-dependent DNA helicase (UvrD/REP), DNA (70-MER), IRON/SULFUR CLUSTER, ... | | Authors: | Jia, N, Unciuleac, M, Shuman, S, Patel, D.J. | | Deposit date: | 2019-07-08 | | Release date: | 2019-11-20 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structures and single-molecule analysis of bacterial motor nuclease AdnAB illuminate the mechanism of DNA double-strand break resection.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7PRM
 | | CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 13 | | Descriptor: | (4~{R})-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]pyrrolidin-2-one, 1,2-ETHANEDIOL, Monoglyceride lipase | | Authors: | Grether, U, Gobbi, L, Kuhn, B, Collin, L, Leibrock, L, Heer, D, Wittwer, M, Benz, J. | | Deposit date: | 2021-09-22 | | Release date: | 2022-02-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Development of High Brain-Penetrant and Reversible Monoacylglycerol Lipase PET Tracers for Neuroimaging.
J.Med.Chem., 65, 2022
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6P3L
 | | Crystal Structure of Ketosteroid Isomerase from Mycobacterium hassiacum (mhKSI) | | Descriptor: | GUANIDINE, SULFATE ION, SnoaL-like domain protein | | Authors: | Yabukarski, F, Doukov, T, Pinney, M, Herschlag, D. | | Deposit date: | 2019-05-23 | | Release date: | 2020-05-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.571 Å) | | Cite: | Parallel molecular mechanisms for enzyme temperature adaptation.
Science, 371, 2021
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5F00
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-[3-[(3-chloro-8-quinolyl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine | | Descriptor: | (5~{R})-5-[3-[(3-chloranylquinolin-8-yl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | | Authors: | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | | Deposit date: | 2015-11-27 | | Release date: | 2016-02-24 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
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7PE1
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7PE2
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6LZ9
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6FAI
 | | Structure of a eukaryotic cytoplasmic pre-40S ribosomal subunit | | Descriptor: | 20S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ... | | Authors: | Scaiola, A, Pena, C, Weisser, M, Boehringer, D, Leibundgut, M, Klingauf-Nerurkar, P, Gerhardy, S, Panse, V.G, Ban, N. | | Deposit date: | 2017-12-15 | | Release date: | 2018-02-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure of a eukaryotic cytoplasmic pre-40S ribosomal subunit.
EMBO J., 37, 2018
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8R79
 | | The D2 domain of human DTX3L | | Descriptor: | E3 ubiquitin-protein ligase DTX3L, SULFATE ION | | Authors: | Vela-Rodriguez, C, Lehtio, L, Maksimainen, M, Duman, R, Wagner, A, Glumoff, T. | | Deposit date: | 2023-11-24 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Oligomerisation mediated by the D2 domain of DTX3L is critical for DTX3L-PARP9 reading function of mono-ADP-ribosylated androgen receptor.
Biorxiv, 2023
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1V8Z
 | | X-ray crystal structure of the Tryptophan Synthase b2 Subunit from Hyperthermophile, Pyrococcus furiosus | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, Tryptophan synthase beta chain 1 | | Authors: | Hioki, Y, Ogasahara, K, Lee, S.J, Ma, J, Ishida, M, Yamagata, Y, Matsuura, Y, Ota, M, Kuramitsu, S, Yutani, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2004-01-15 | | Release date: | 2005-02-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | The crystal structure of the tryptophan synthase beta subunit from the hyperthermophile Pyrococcus furiosus. Investigation of stabilization factors
Eur.J.Biochem., 271, 2004
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6EU9
 | | Crystal structure of Platynereis dumerilii RAR ligand-binding domain in complex with all-trans retinoic acid | | Descriptor: | RETINOIC ACID, Retinoic acid receptor | | Authors: | Handberg-Thorsager, M, Gutierrez-Mazariegos, J, Arold, S.T, Nadendla, E.K, Bertucci, P.Y, Germain, P, Tomancak, P, Pierzchalski, K, Jones, J.W, Albalat, R, Kane, M.A, Bourguet, W, Laudet, V, Arendt, D, Schubert, M. | | Deposit date: | 2017-10-29 | | Release date: | 2018-03-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | The ancestral retinoic acid receptor was a low-affinity sensor triggering neuronal differentiation.
Sci Adv, 4, 2018
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5F02
 | | CATHEPSIN L IN COMPLEX WITH (2S,4R)-4-(2-Chloro-4-methoxy-benzenesulfonyl)-1-[3-(5-chloro-pyridin-2-yl)-azetidine-3-carbonyl]-pyrrolidine-2-carboxylic acid (1-cyano-cyclopropyl)-amide | | Descriptor: | (2~{S},4~{R})-4-[(2-chloranyl-4-methoxy-phenyl)-bis(oxidanyl)-$l^{4}-sulfanyl]-1-[3-(5-chloranylpyridin-2-yl)azetidin-3-yl]carbonyl-~{N}-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide, Cathepsin L1, GLYCEROL | | Authors: | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | | Deposit date: | 2015-11-27 | | Release date: | 2016-02-24 | | Last modified: | 2016-05-25 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
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7PP0
 | | Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound 28 (JMV-7038) | | Descriptor: | 2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl]benzoic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | | Authors: | Tassone, G, Benvenuti, M, Verdirosa, F, Corsica, G, Chelini, G, De Luca, F, Docquier, J.D, Pozzi, C, Mangani, S. | | Deposit date: | 2021-09-10 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | 1,2,4-Triazole-3-Thione Analogues with a 2-Ethylbenzoic Acid at Position 4 as VIM-type Metallo-beta-Lactamase Inhibitors.
Chemmedchem, 17, 2022
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5F1P
 | | Crystal Structure of Dehydrogenase from Streptomyces platensis | | Descriptor: | PtmO8 | | Authors: | Kim, Y, Li, H, Endres, M, Babnigg, G, Rudolf, J, Ma, M, Chang, C.-Y, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2015-11-30 | | Release date: | 2015-12-30 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | Crystal Structure of a Dehydrogenase, PtmO8, from Streptomyces platensis
To Be Published
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5M7Z
 | | Translation initiation factor 4E in complex with (SP)-m2(7,2'O)GppSepG mRNA 5' cap analog (beta-Se-ARCA D2) | | Descriptor: | CHLORIDE ION, Eukaryotic translation initiation factor 4E, GLYCEROL, ... | | Authors: | Warminski, M, Nowak, E, Kowalska, J, Jemielity, J, Nowotny, M. | | Deposit date: | 2016-10-28 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.689 Å) | | Cite: | Translation initiation factor 4E in complex with (SP)-m2(7,2'O)GppSepG mRNA 5' cap analog (beta-Se-ARCA D2)
To Be Published
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208L
 | | MUTANT HUMAN LYSOZYME C77A | | Descriptor: | CYSTEINE, LYSOZYME | | Authors: | Matsushima, M, Song, H. | | Deposit date: | 1996-03-26 | | Release date: | 1996-10-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A role of PDI in the reductive cleavage of mixed disulfides.
J.Biochem.(Tokyo), 120, 1996
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5EZX
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH {(1R,2R)-2-[(R)-2-Amino-4-(4-difluoromethoxy-phenyl)-4,5-dihydro-oxazol-4-yl]-cyclopropyl}-(5-chloro-pyridin-3-yl)-methanone | | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, SODIUM ION, ... | | Authors: | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | | Deposit date: | 2015-11-27 | | Release date: | 2016-02-24 | | Last modified: | 2016-05-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
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3KZY
 | | Crystal structure of SNAP-tag | | Descriptor: | Methylated-DNA--protein-cysteine methyltransferase, ZINC ION | | Authors: | Bannwarth, M, Schmitt, S, Pojer, F, Schiltz, M, Johnsson, K. | | Deposit date: | 2009-12-09 | | Release date: | 2010-12-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | SNAP-tag structure
To be Published
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6V3Z
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5ML5
 | | Human p38alpha MAPK in complex with imidazolyl pyridine inhibitor 11b | | Descriptor: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{H}-imidazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Buehrmann, M, Rauh, D. | | Deposit date: | 2016-12-06 | | Release date: | 2017-04-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1 delta and Their Structural Relation to p38 alpha MAPK.
Molecules, 22, 2017
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